CID 118134

2(1h)-naphthalenone, octahydro-6-(1-methylethyl)-

Structural Information

Molecular Formula
C13H22O
SMILES
CC(C)C1CCC2CC(=O)CCC2C1
InChI
InChI=1S/C13H22O/c1-9(2)10-3-4-12-8-13(14)6-5-11(12)7-10/h9-12H,3-8H2,1-2H3
InChIKey
HEKJOMVJRYMUDB-UHFFFAOYSA-N
Compound name
6-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-one
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

870
Patents

194.16707 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.174346 146.0
[M+Na]+ 217.156288 149.8
[M-H]- 193.159794 149.0
[M+NH4]+ 212.200893 166.4
[M+K]+ 233.130228 147.5
[M+H-H2O]+ 177.164330 140.3
[M+HCOO]- 239.165271 161.2
[M+CH3COO]- 253.180921 187.0
[M+Na-2H]- 215.141736 147.6
[M]+ 194.16652142 139.6
[M]- 194.16761858 139.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe